Difluoroamino radical
- Formula: F2N
- Molecular weight: 52.0035
- IUPAC Standard InChI: InChI=1S/F2N/c1-3-2
- IUPAC Standard InChIKey: BBZREMAMWBDNHH-UHFFFAOYSA-N
- CAS Registry Number: 3744-07-8
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to F2N+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 11.63 ± 0.01 | eV | N/A | N/A | L |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.87 ± 0.15 | D-EA | Koppel, Taft, et al., 1994 | Exptl, not interpolated dHf(F2NH) from Gurvich, Veyts, et al., is used. It agrees far better with MO calns; B |
| 1.35 ± 0.15 | D-EA | Koppel, Pikver, et al., 1981 | This acidity disagrees with the authors' later( Koppel, Taft, et al., 1994) value by 10 kcal/mol, but agrees with G3(MP2) computations much better.The acidity of HNF2 is not well known therefore.; B |
| 1.10 ± 0.10 | EIAE | Ruckhaberle, Lehmann, et al., 1997 | B |
| 1.68 ± 0.21 | EIAE | Harland and Franklin, 1974 | From NF3; B |
| >0.70 ± 0.20 | EIAE | Dudin, Baluev, et al., 1979 | From NF3; B |
| >0.41 ± 0.15 | EIAE | Dudin, Balaev, et al., 1978 | From N2F4; B |
| 2.99997 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 11.8 ± 0.4 | EI | Tarnovsky, Levin, et al., 1994 | LL |
| 11.63 ± 0.01 | PI | Berkowitz, Greene, et al., 1984 | LBLHLM |
| 11.8 ± 0.1 | EI | Foner and Hudson, 1973 | LLK |
| 12.1 | PE | Herring, 1972 | LLK |
| 11.62 ± 0.02 | PE | Cornford, Frost, et al., 1971 | LLK |
| 11.79 ± 0.12 | EI | Cristy and Mamantov, 1970 | RDSH |
| 12.1 ± 0.1 | PE | Cornford, Frost, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| FN+ | 15.7 ± 0.4 | F | EI | Tarnovsky, Levin, et al., 1994 | LL |
| FN+ | 15.09 ± 0.01 | F | PI | Berkowitz, Greene, et al., 1984 | LBLHLM |
| FN+ | 11.9 ± 0.2 | F(-) | EI | Foner and Hudson, 1973 | LLK |
| FN+ | 15.5 ± 0.2 | F | EI | Foner and Hudson, 1973 | LLK |
| NF+ | 11.8 ± 0.2 | F- | EI | Herron and Dibeler, 1961 | RDSH |
| NF+ | 15.5 ± 0.2 | F | EI | Herron and Dibeler, 1961 | RDSH |
| NF+ | 15.0 ± 0.2 | F | EI | Loughran and Mader, 1960 | RDSH |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Marilyn E. Jacox
State: A
| Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
|---|---|---|---|---|---|---|---|
| gas | A-X | 237 | 278 | Johnson and Colburn, 1961 | |||
| Kuznetsova, Kuzyakov, et al., 1964 | |||||||
| Goodfriend and Woods, 1964 | |||||||
| Ar | A-X | 247 | 265 | Jacox, Milligan, et al., 1974 | |||
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 2 | Bend | 390 | gas | AB | Kuznetsova, Kuzyakov, et al., 1964 Goodfriend and Woods, 1964 | |
| 2 | Bend | 408 | Ar | AB | Jacox, Milligan, et al., 1974 | ||
State: X
| Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
|---|---|---|---|---|---|---|---|
| a1 | 1 | Sym. stretch | 1074.99 | gas | IR DL | Harmony, Myers, et al., 1961 Davies, Handy, et al., 1979 Hakuta and Uehara, 1981 Davies, Hamilton, et al., 1984 | |
| 1 | Sym. stretch | 1071.6 | Ne | IR | Jacox and Thompson, 1995 | ||
| 1 | Sym. stretch | 1069 | m | Ar | IR | Jacox and Milligan, 1967 Jacox, Milligan, et al., 1974 | |
| 1 | Sym. stretch | 1070 | N2 | IR | Harmony, Myers, et al., 1961 Harmony and Myers, 1962 | ||
| 2 | Bend | 573 | w | N2 | IR | Harmony and Myers, 1962 | |
| b2 | 3 | Asym. stretch | 942.48 | gas | IR DL | Harmony, Myers, et al., 1961 Davies, Handy, et al., 1979 Davies and Hamilton, 1984 Uehara and Horiai, 1986 | |
| 3 | Asym. stretch | 936.0 | Ne | IR | Jacox and Thompson, 1995 | ||
| 3 | Asym. stretch | 932 | vs | Ar | IR | Jacox and Milligan, 1967 Jacox, Milligan, et al., 1974 | |
| 3 | Asym. stretch | 931 | N2 | IR | Harmony, Myers, et al., 1961 Harmony and Myers, 1962 | ||
Additional references: Jacox, 1994, page 107; Jacox, 1998, page 201; Comeford and Mann, 1965; Brown, Burden, et al., 1974; Muller, Loblein, et al., 2008
Notes
| w | Weak |
| m | Medium |
| vs | Very strong |
References
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M.,
The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids,
J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038
. [all data]
Gurvich, Veyts, et al.
Gurvich, L.V.; Veyts, I.V.; Alcock, C.B.,
Hemisphere Publishing, NY, 1989, V. 1 2, Thermodynamic Properties of Individual Substances, 4th Ed. [all data]
Koppel, Pikver, et al., 1981
Koppel, I.; Pikver, R.; Sugis, A.; Suurmaa, E.; Lippmaa, E.,
FTICR Study of Structure and Solvent Effects on Basicity of Some Anions in the Gas Phase,
Org. Reac., 1981, 18, 3. [all data]
Ruckhaberle, Lehmann, et al., 1997
Ruckhaberle, N.; Lehmann, L.; Matejcik, S.; Illenberger, E.; Bouteiller, Y.; Periquet, V.; Museur, L.; Desfran,
Free Electron Attachment and Rydberg Electron Transfer to NF3 Molecules and Clusters,
J. Phys. Chem. A, 1997, 101, 51, 9942, https://doi.org/10.1021/jp972422+
. [all data]
Harland and Franklin, 1974
Harland, P.W.; Franklin, J.L.,
Partitioning of excess energy in dissociative resonance capture processes,
J. Chem. Phys., 1974, 61, 1621. [all data]
Dudin, Baluev, et al., 1979
Dudin, A.V.; Baluev, A.V.; Gorokhov, L.N.,
A Mass Spectrometric Investigation of Nitrogen Trifluoride by the Electron Shock Method, Izv. Akad. Nauk SSR Ser. Khim. 2172, 1979. [all data]
Dudin, Balaev, et al., 1978
Dudin, A.V.; Balaev, A.V.; Gorokhov, L.N.,
Mass Spectrometric Study of Tetrafluorohydrazine and the Products Resulting from Its Breakdown Under Electron Impact, Izv. Akad. Nauk SSR Ser. Khim. 1306, 1978. [all data]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [all data]
Tarnovsky, Levin, et al., 1994
Tarnovsky, V.; Levin, A.; Becker, K.,
Absolute cross sections for the electron impact ionization of the NF2 and NF free radicals,
J. Chem. Phys., 1994, 100, 5626. [all data]
Berkowitz, Greene, et al., 1984
Berkowitz, J.; Greene, J.P.; Foropoulos, J., Jr.; Neskovic, O.M.,
Bonding and ionization energies of N-F and P-F compounds,
J. Chem. Phys., 1984, 81, 6166. [all data]
Foner and Hudson, 1973
Foner, S.N.; Hudson, R.L.,
Mass spectrometric studies of tetrafluorohydrazine and the difluoroamino radical,
J. Chem. Phys., 1973, 58, 581. [all data]
Herring, 1972
Herring, F.G.,
General discussion,
Faraday Discuss. Chem. Soc., 1972, 54, 68. [all data]
Cornford, Frost, et al., 1971
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A.,
Ionization potentials of the difluoroamino radical by photoelectron spectroscopy and INDO calculations,
J. Chem. Phys., 1971, 54, 1872. [all data]
Cristy and Mamantov, 1970
Cristy, S.S.; Mamantov, G.,
Cryogenic mass spectrometry of reactive fluorine-containing species. II. Applications to synthesis via pyrolysis, photolysis and microwave discharge,
Intern. J. Mass Spectrom. Ion Phys., 1970, 5, 319. [all data]
Cornford, Frost, et al., 1972
Cornford, A.B.; Frost, D.C.; Herring, F.G.; McDowell, C.A.,
Photoelectron spectra of some free radicals,
Faraday Discuss. Chem. Soc., 1972, 54, 56. [all data]
Herron and Dibeler, 1961
Herron, J.T.; Dibeler, V.H.,
Mass spectrometric study of NF2, NF3, N2F2, and N2F4,
J. Res. NBS, 1961, 65A, 405. [all data]
Loughran and Mader, 1960
Loughran, E.D.; Mader, C.,
Appearance potential study of tetrafluorohydrazine,
J. Chem. Phys., 1960, 32, 1578. [all data]
Johnson and Colburn, 1961
Johnson, F.A.; Colburn, C.B.,
None,
J. Am. Chem. Soc., 1961, 83, 14, 3043, https://doi.org/10.1021/ja01475a018
. [all data]
Kuznetsova, Kuzyakov, et al., 1964
Kuznetsova, L.A.; Kuzyakov, Yu.Ya.; Tatevskii, V.M.,
Opt. i Spektrosk., 1964, 16, 542. [all data]
Goodfriend and Woods, 1964
Goodfriend, P.L.; Woods, H.P.,
The absorption spectrum of NF2,
J. Mol. Spectrosc., 1964, 13, 1-4, 63, https://doi.org/10.1016/0022-2852(64)90055-4
. [all data]
Jacox, Milligan, et al., 1974
Jacox, M.E.; Milligan, D.E.; Guillory, W.A.; Smith, J.J.,
Matrix-isolation study of the vacuum-ultraviolet photolysis of NF3,
J. Mol. Spectrosc., 1974, 52, 2, 322, https://doi.org/10.1016/0022-2852(74)90122-2
. [all data]
Harmony, Myers, et al., 1961
Harmony, M.D.; Myers, R.J.; Schoen, L.J.; Lide, D.R., Jr.; Mann, D.E.,
Infrared Spectrum and Structure of the NF2 Radical,
J. Chem. Phys., 1961, 35, 3, 1129, https://doi.org/10.1063/1.1701191
. [all data]
Davies, Handy, et al., 1979
Davies, P.B.; Handy, B.J.; Russell, D.K.,
Infrared diode laser spectroscopy of the NF2 radical,
Chem. Phys. Lett., 1979, 68, 2-3, 395, https://doi.org/10.1016/0009-2614(79)87224-3
. [all data]
Hakuta and Uehara, 1981
Hakuta, K.; Uehara, H.,
High-field laser magnetic resonance spectra of NF2 (ν1) tuned by the avoidance of Zeeman-level crossings,
J. Chem. Phys., 1981, 74, 11, 5995, https://doi.org/10.1063/1.441038
. [all data]
Davies, Hamilton, et al., 1984
Davies, P.B.; Hamilton, P.A.; Lewis-Bevan, W.; Russell, D.K.,
Infrared Laser Spectroscopy of Free Radicals and Ions. II. Analysis of the Formula Band of Formula,
Proc. Roy. Soc. (London) A392, 1984, 392, 1803, 445, https://doi.org/10.1098/rspa.1984.0041
. [all data]
Jacox and Thompson, 1995
Jacox, M.E.; Thompson, W.E.,
Matrix isolation study of the interaction of excited neon atoms with NF3. Infrared spectra of NF+3, NF+2, and NF-2,
J. Chem. Phys., 1995, 102, 1, 6, https://doi.org/10.1063/1.469446
. [all data]
Jacox and Milligan, 1967
Jacox, M.E.; Milligan, D.E.,
Production and Reaction of Atomic Fluorine in Solids. Vibrational and Electronic Spectra of the Free Radical HNF,
J. Chem. Phys., 1967, 46, 1, 184, https://doi.org/10.1063/1.1840369
. [all data]
Harmony and Myers, 1962
Harmony, M.D.; Myers, R.J.,
Infrared Spectrum and Thermodynamic Functions of the NF2 Radical,
J. Chem. Phys., 1962, 37, 3, 636, https://doi.org/10.1063/1.1701388
. [all data]
Davies and Hamilton, 1984
Davies, P.B.; Hamilton, P.A.,
Infrared Laser Spectroscopy of Free Radicals and Ions. III. The Formula Band of NFFormula,
Proc. Roy. Soc. (London) A393, 1984, 393, 1805, 397, https://doi.org/10.1098/rspa.1984.0064
. [all data]
Uehara and Horiai, 1986
Uehara, H.; Horiai, K.,
Laser microwave double resonance using high-field LMR spectra for the ν3 band of NF2,
J. Chem. Phys., 1986, 84, 10, 5568, https://doi.org/10.1063/1.449915
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Comeford and Mann, 1965
Comeford, J.J.; Mann, D.E.,
Formation of NF from NF2 by photolysis,
Spectrochim. Acta, 1965, 21, 1, 197, https://doi.org/10.1016/0371-1951(65)80116-3
. [all data]
Brown, Burden, et al., 1974
Brown, R.D.; Burden, F.R.; Godfrey, P.D.; Gillard, I.R.,
Microwave spectrum of NF2,
J. Mol. Spectrosc., 1974, 52, 2, 301, https://doi.org/10.1016/0022-2852(74)90121-0
. [all data]
Muller, Loblein, et al., 2008
Muller, H.S.P.; Loblein, K.; Hubner, H.; Huttner, W.; Brown, J.M.,
The rotational spectrum of the NF2 free radical: Determination of molecular structure,
J. Mol. Spectrosc., 2008, 251, 1-2, 185, https://doi.org/10.1016/j.jms.2008.02.014
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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